Geometry & MOs

Info

ID:	45711
PubChem CID:	10516760
Reduced:	ClIO2C6H12 (1)
Stoich.:	ABC2D6E12 (1)
Weight, g/mol:	279.08735
ΔH_f, kcal/mol:	-86.5
Dipole, Da:	2.18
IP(EA), eV:	-9.52(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-[(E,1R)-4-chloro-1-(methoxymethoxy)but-2-enyl]-3-(methoxymethyl)-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

COCC(COC)(CCl)I

DOS

IR

Vibrations